6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine

C9H13ClN4O — CID 83003958

IUPAC6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NN1CCOCC1
InChIInChI=1S/C9H13ClN4O/c10-8-2-1-7(11)9(12-8)13-14-3-5-15-6-4-14/h1-2H,3-6,11H2,(H,12,13)
InChIKeyAIYVNORSVLZROW-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.98
Rot. Bonds2

About 6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine

6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine (PubChem CID 83003958) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine
PubChem CID83003958
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NN1CCOCC1
InChIInChI=1S/C9H13ClN4O/c10-8-2-1-7(11)9(12-8)13-14-3-5-15-6-4-14/h1-2H,3-6,11H2,(H,12,13)
InChIKeyAIYVNORSVLZROW-UHFFFAOYSA-N
XLogP0.98
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-N-morpholin-4-ylpyridine-2,3,6-triamine
CID 83003580
N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine
CID 102751710
N-(3-chloro-2-pyridinyl)morpholin-4-amine
CID 83025582
3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile
CID 103468941
5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine
CID 83027626
3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine
CID 83003966
6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine
CID 24903988
5-N-morpholin-4-yl-1,2,4-thiadiazole-3,5-diamine
CID 83024360
N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine
CID 83025406
2-N-morpholin-4-ylpyridine-2,5-diamine
CID 83005603
4-N-morpholin-4-ylpyrimidine-2,4,6-triamine
CID 83027555
6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide
CID 83016173

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine (CID 83003958) is 6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine is Nc1ccc(Cl)nc1NN1CCOCC1.
What is the InChIKey of 6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine?
The InChIKey is AIYVNORSVLZROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c10-8-2-1-7(11)9(12-8)13-14-3-5-15-6-4-14/h1-2H,3-6,11H2,(H,12,13).
What are the key properties of 6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine?
6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine has a molecular weight of 228.68 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-morpholin-4-ylpyridine-2,3-diamine is sourced from PubChem (CID 83003958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).